1,3,9-trimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione

Systemtic Name: 1,3,9-trimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 8-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1,3,9-trimethyl-xanthine Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H23N5O3S/c1-10-5-7-21(8-6-10)11(22)9-25-15-17-12-13(18(15)2)19(3)16(24)20(4)14(12)23/h10H,5-9H2,1-4H3